Biomedical Solid-State NMR

Selected Recent Publications 

A.  Shukla, R., Lavore, F.,  Maity, S., Derks, M., Jones, C.R., Vermeulen, B.,  Melcorvá, A., Morris, M.A., Becker, L.M., Wang, X., Kumar, R., Medeiros-Silva, J., van Beekveld, R.A.M., Bonvin, AMJJ, Lorent, J., Lelli, M., Nowick, J.S.,, MacGillavry, H.D., Peoples, AJ., Spoering, AL., Ling, LL., Hughes, DE., Roos, W.H., Breukink, E., Lewis, K., Weingarth, M., (2022) Nature,Teixobactin kills bacteria by a two-pronged attack on the cell envelope (open access)

B. Rohaim, A., Vermeulen, B., Li, J., Kümmerer, F., Napoli, F., Blachowicz, Medeiros-Silva, J., Roux., B., Weingarth, M., (2022) 13, 1574, Nature Comm., A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V

C. Shukla, R., Medeiros-Silva, J., Parmar, A., Vermeulen, B.J.A., Das, S.,  Paioni, L.A.,Jekhmane, S., Lorent, J., Bonvin, A.M.J.J., Baldus, M., Lelli, M., Veldhuizen, E., Breukink, E., Singh, I., Weingarth, M. (2020) Nature Communications, 11, 2848, Mode of action of teixobactins in cellular membranes See also press release

D. Jekhmane, S., Medeiros-Silva, J., Li, J., Kümmerer, F., Müller-Hermes, C., Baldus, M., Roux, B., Weingarth, M. (2019) Nature Communications, 10, 12 Shifts in the selectivity filter dynamics cause modal gating in K+ channels See also press release

E. Medeiros-Silva, J., Jekhmane, S.,  Paioni, A., Gawarecka, K., Baldus, M., Swiezewska, E., Breukink, E., Weingarth, M. (2018) Nature Communications, 9, 3963, High-resolution NMR studies of antibiotics in cellular membranes  See also press release & coverage & coverage 

Publications 

• 57. Shukla, R., Peoples, A.J., Ludwig, K.C., Maity, S., Derks, M.G.N, de Benedetti, S., Krueger, A.M., Vermeulen, B.J.A., Lavore, F., Honorato, R.V., Grein, F., Bonvin, A.M.J.J., Kubitscheck, U., Breukink, E., Achorn, C., Nitti, A., Schwalen, C.J., Spoering, A.L., Ling, L.L., Hughes, D., Lelli, M., Roos, W.H., Lewis, K., Schneider, T., Weingarth, M., A new antibiotic from an uncultured bacterium binds to an immutable target, in revision
• 56. Javed, A., Slingerland, C.J., Wood, T.M., Martin, N.I., Broere, F., Weingarth, M., Veldhuizen, E.J.A., (2023) ACS Infectious Diseases, A chimeric peptidomimetic antibiotic efficiently neutralizes LPS and bacteria-induced activation of RAW macrophages
• 55. van Beekveld, R., Derks, D., Kumar, R., Smid, L., Maass, T., Medeiros-Silva, J., Breukink, E., Weingarth, M. (2022) Chemistry - a European Journal, Specific lipid studies in Complex Membranes by Solid-State NMR Spectroscopy
• 54. Shukla, R., Lavore, F.,  Maity, S., Derks, M., Jones, C.R., Vermeulen, B.,  Melcorvá, A., Morris, M.A., Becker, L.M., Wang, X., Kumar, R., Medeiros-Silva, J., van Beekveld, R.A.M., Bonvin, AMJJ, Lorent, J., Lelli, M., Nowick, J.S.,, MacGillavry, H.D., Peoples, AJ., Spoering, AL., Ling, LL., Hughes, DE., Roos, W.H., Breukink, E., Lewis, K., Weingarth, M., (2022) Nature, Teixobactin kills bacteria by a two-pronged attack on the cell envelope
• 53. Beek, C., Killian, L., Lutz, M., Weingarth, M., Asundi, A.S., Sarangi, R., Klein Gebbink, R.J.M., Broere, D.L.J., (2022) Chemistry - a European Journal, accepted, E-selective Semi-hydrogenation of Alkynes Under Mild Conditions by a Diruthenium Hydride Complex 
• 52.  Rohaim, A., Vermeulen, B., Li, J., Kümmerer, F., Napoli, F., Blachowicz, Medeiros-Silva, J., Roux., B., Weingarth, M., (2022) 13, 1574, Nature Comm., A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V
• 51. Rončević1, T., Gerdol, M., Mardirossian, M., Maleš, M., Cvjetan, S., Benincasa, M., Maravić, A., Gajski, G., Krce, L., Aviani, I., Hrabar, J., Trumbić, J., Derks, M., Pallavicini, A., Weingarth, M., Zoranić, L., Tossi, A., Mladineo, I., (2022) Acta Biomaterialia, Anisaxins, helical antimicrobial peptides from marine parasites, kill resistant bacteria by lipid extraction and membrane disruption

• 50.  Zhao, X., Wang., X., Shukla, R., Kumar, R., Weingarth, M., Breukink, E., Kuipers, O., (2021), Frontiers Microbiology, Brevibacillin 2V exerts its bactericidal activity via binding to Lipid II and permeabilizing cellular membranes

• 49.  Zhao, X., Wang., X., Shukla, R., Kumar, R., Weingarth, M., Breukink, E., Kuipers, O., (2021), Frontiers Microbiology, Brevibacillin 2V, a novel antimicrobial lipopeptide with an exceptional low hemolytic activity

• 48.  van Eijk, M., Veldhuizen, E.J.A., van der Ent, C.K., Arets, HGM., van Dijk, A., Adrichem, A., van der Water, S., Gomez, R.L., Kristensen, M., Hessing, M., Jekhmane, S., Weingarth, M., Veldhuizen, R., Haagsman, HP., (2021), BBA - General Subjects, PepBiotics, a class of novel cathelicidin-inspired antimicrobials to fight pulmonary bacterial infections
• 47. Beriashvili, D.,, Schellevis, R.D., Napoli, F., Weingarth, M.,* Baldus, M.* (2021) JoVE, High-resolution studies of proteins in natural membranes by solid-state NMR
• 46. Zhai, W., Paioni, L.A., Cai, X., Narasimhan, S., Medeiros-Silva, J., Zhang, W., Rockenbauer, A., Weingarth, M., Song, Y., Baldus., M., Liu, Y., (2020) J. Chem. Phys., Postmodification via Thiol-click Chemistry yields Hydrophilic Trityl-Nitroxid Biradicals for Biomolecular High-Field Dynamic Nuclear Polarization 
• 45. Lau, Y.J.L., Fontana, F., Mandemaker, L., Wezendonk, D., Vermeer, B., Bonvin, A., de Vries, R., Zhang, H., Remaut, K., van den Dikkenburg, J., Medeiros-Silva, J., Hassan, A., Perrone, B., Kuemmerle, R., Gelain, F., Hennink, W., Weingarth, M.,* Enrico Mastrobattista, E.*, (2020), Communications Chemistry, Control over the fibrillization yield by varying the oligomeric nucleation propensities of self-assembling peptides
• 44. Shukla, R., Medeiros-Silva, J., Parmar, A., Vermeulen, B.J.A., Das, S.,  Paioni, L.A.,Jekhmane, S., Lorent, J., Bonvin, A.M.J.J., Baldus, M., Lelli, M., Veldhuizen, E., Breukink, E., Singh, I., Weingarth, M. (2020) Nature Comm., 11, 2848, Mode of action of teixobactins in cellular membranes
• 43. Bear, B., Veldhuizen, J.A.E., Molchanova, N., Jekhmane, S., Weingarth., M., Jenssen, H., Lin, J.S., Barron, A.E., Yamashita, C., Veldhuizen, R. (2020) Scientific reports, 10, 9392, Optimizing Exogeneous Surfacant as a Pulmonary Delivery Vehicle for Chicken Cathelicidin-2
• 42. Sarkar, D., Chakraborty, I., Condorelli, M., Baijayanti, G., Maass, T.,  Weingarth, M., Mandal, A.K., La Rosa, C., Subramanian, V., Bhunia, A., (2019) ChemMedChem, accepted, Self-assembly and Neurotoxicity of Amyloid-beta (21-40) Peptide fragment: The regulatory Role of GxxxG Motifs 
• 41. Damman, R., Schütz, S., Luo, Y., Prachar, M., Weingarth, M., Sprangers, R., Baldus, M. (2019) Nature Comm., 10, 4536, Atomic-level insight into the maturated state of mRNA processing bodies by combining solid and solution-state NMR spectroscopy (open access)
• 40. Jekhmane, S., Prachar, M., J., Pugliese, R., Fontana, F., Medeiros-Silva, Gelain, F., Weingarth, M., (2019) Angewandte Chemie, 58, 16943, Design parameters of tissue engineering scaffolds at atomic scale (open access)

• 39.  Weingarth, M. (2019) Spektrum der Wissenschaft, 2, 22, Angriff auf die Zellmembran
• 38. Medeiros-Silva, J., Jekhmane, S., Breukink, E., Weingarth, M., (2019) ChemBioChem, 14, 1731, special issue 'ChemBioTalents' (invited), Towards the native binding modes of Lipid II targeting antibiotics (open access)
• 37.  Jekhmane, S., Medeiros-Silva, J., Li, J., Kümmerer, F., Müller-Hermes, C., Baldus, M., Roux, B., Weingarth, M. (2019) Nature Comm., 10, 12 Shifts in the selectivity filter dynamics cause modal gating in K+ channels See also press release (open access)
• 36. Medeiros-Silva, J., Jekhmane, S.,  Paioni, A., Gawarecka, K., Baldus, M., Swiezewska, E., Breukink, E., Weingarth, M. (2018) Nature Comm., 9, 3963, High-resolution NMR studies of antibiotics in cellular membranes  See also press release & coverage (open access)
• 35. Pinto, C., Mance, D., Sinnige, T., Daniëls, M., Weingarth, M., Baldus, M. (2018) Nature Comm., 9, 4135, The beta-barrel assembly machinery exhibits Conformational Flexibility in lipid bilayers as seen by high-sensitivity solid-state NMR See also press release (open access)
• 34. Saracino, A., Fontana, F., Jekhmane, S., Medeiros-Silva, J., Weingarth, M., Gelain, F. (2018) Advanced Science, 1800471, Elucidation self-assembling peptide aggregation via Morphoscanner: a new tool for protein-peptide structural characterisation 
• 33. Tikhonova, E., Hariharan, P., Medeiros-Silva, J., Jeuken, A., Bogdanov, M.V., Dowhan, W., Brouwers, J. F., Weingarth, M.,* Guan, L.* (2018) BMC Biology, 16, 85, Structural and functional characterization of protein-lipid interactions of the Salmonella typhimurium melibiose transporter MelB (open access)
• 32. Pinto, C., Mance, D., Julien, M., Daniëls, M., Weingarth, M., Baldus, M. (2017) J. Struct. Bio, 17, 1047, Studying the assembly of the BAM complex in native membranes by cellular solid-state NMR spectroscopy
• 31. Visscher, K.M.,  Medeiros-Silva, J., Mance, D., Rodrigues, J.P.G.L.M., Daniëls, M., Bonvin, A.M.J.J., Baldus, M., Weingarth, M. (2017) Angew. Chem., 56, 13222, Supramolecular organization and functional implications of K+ channel clusters in membranes   (open access)
• 30. Medeiros-Silva, J., Jekhmane, S., Baldus, M., Weingarth, M. (2017) Solid State Nucl. Magn. Reson. (invited article; special issue 'Ultra-fast magic angle spinning), accepted, Hydrogen bond strength in membrane proteins by time-resolved 1H-detected solid-state NMR and MD simulations, invited article, special issue ultra-fast MAS  (open access)
  
• 29. Medeiros-Silva, J., Mance, D., Daniels, M., Jekhmane, S., Houben, K., Baldus, M., Weingarth, M. (2016) Angew. Chem. 55, 13606, 1H-detected solid-state NMR of water-inaccessible proteins in vitro and in situ layman's summary    (open access)
  
• 28. Chung, S., Angelici, C., Hinterding, S.O.M., Weingarth, M., Baldus, M., Houben, K., Weckhuysen, B.M., Bruijnincx, P.C.A. (2016) ACS Catal., 6, 4034, On the role of magnesium silicates in wet-kneaded silica-magnesia catalysts for the Lebedev ethanol-to-butadiene process  (open access)
  

• 27. Mance, D., Sinnige, T., Kaplan, M., Narasimhan, S., Danïels, M., Houben, K., Baldus, M., Weingarth, M. (2015) Angew. Chem., 54, 15799, An efficient labelling approach to harness backbone and side chain protons in 1H-detected solid-state NMR  (open access)
  
• 26. Jantschke, A., Koers, E., Mance, D., Weingarth, M., Brunner, E., Baldus, M. (2015) Angew. Chem., 54, 15069, Insight into the Supramolecular Architecture of Intact Diatom Biosilica Using a DNP-Solid-State NMR-Based Approach
  
• 25. Rad Malekshahi, M., Visscher. K.M., Rodrigues J.P.G.L.M., de Vries, R., Hennink, W.E.,  Baldus, M., Bonvin A.M.J.J., Mastrobattista E., Weingarth, M. (2015) J. Am. Chem. Soc., 137, 7775, The supramolecular organization of a peptide based nanocarrier at high molecular detail 
  
• 24. van der Cruijsen, E., Koers, E., Sauvée, C., Hulse, R.E., Weingarth, M., Ouari, O., Perozo, E., Tordo, T., Baldus, M. (2015) Chemistry—A European Journal, 21, 12971,  Biomolecular DNP- supported NMR spectroscopy using sitedirected spin labeling
  
• 23. van Zandvoort, I., Koers, E.J.,Weingarth, M., Bruijnincx, P.C.A. Baldus, M., Weckhuysen, B.M. (2015) Green Chemistry, 17, 4383, 13C-Enriched Humins and Alkali-treated 13C Humins by 2D Solid-state NMR
  
• 22. Sinnige, T., Weingarth, M., Daniels, M., Boelens, R.,  Bonvin, A.M.J.J., Houben, K., Baldus, M.  (2015) Structure, 23, 1317, Conformational plasticity of the POTRA 5 domain in the outer membrane protein assembly factor BamA
  
• 21. Koers, E., van der Cruijsen, E., Rosay, M., Weingarth, M., Prokofyev, A., Sauvée, C., Ouari, O., Pongs, O., Tordo, P., Maas, W., Baldus, M. (2014) J. Biomol. NMR, 60, 157. NMR-based Structural Biology enhanced by Dynamic Nuclear Polarization at high magnetic field
  
• 20. Sinnige, T., Weingarth, M. Renault, M., Baker, L., Tommassen, J., Baldus, M. (2014) J. Mol. Bio., 426, 2009. Solid-state NMR studies of full-length BamA in lipid bilayers suggest limited overall POTRA mobility
  
• 19. Sinnige, T., Daniels, M., Baldus, M.,Weingarth, M. (2014) J. Am. Chem. Soc., 136, 4452. Proton clouds to measure non-exchangeable sidechain protons in solid-state NMR      Cover Article & Comment
  
• 18. Weingarth, M.* van der Cruijsen, E., Ostmeyer, J., Lievestro, S. Roux, B., Baldus, M.,* (2014) J. Am. Chem. Soc., 136, 2000, Quantitative analysis of the water occupancy around the selectivty filter of a K+ channel in different gating modes *co-corresponding authors.
  
• 17. Koers, E. J., Lopez-Deber, M. P., Weingarth, M. Nand, D.,  Hickman, D. T., MlakiNdao, D., Pfeifer, A., Muhs, A., Baldus, M. (2013) Angew. Chem., 52, 10905. Dynamic Nuclear Polarization NMR reveals multiple conformations in lipid-anchored Peptide Vaccines
  
• 16. van der Cruijsen, E., Nand, D., Weingarth, M. Prokofyev, A., Hornig, S., Cukkemane, A., Bonvin, A. MMJ, Becker, S., Hulse, R. E., Perozo, E., Pongs, O., Baldus, M. (2013) Proc. Natl. Acad. Sci. USA, 110, 13008. The importance of the lipid-pore loop interface for potassium channel structure and function
  
• 15. Weingarth, M., Baldus, M. (2013) Acc. Chem. Res., 46, 2037. Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation
  
• 14. Weingarth, M., Prokovyef, A., van der Cruijsen, E., Nand, D., Bonvin, A., Pongs, O., Baldus, M.  (2013), J. Am. Chem. Soc., 135, 10. Structural determinants of specific lipid binding to potassium channels
  
• 13. Weingarth, M., Ader, C., Melqiond, A., Nand, D., Pongs, O., Becker, S., Bonvin, A., Baldus, M. (2012), Biophys. J.,  103, 29. Supramolecular structure of membrane-associated polypeptides by combining solid-state NMR and molecular dynamics simulations
  
• 12. Cukkemane, A., Nand, D., Gradmann, S., Weingarth, M., Baldus, M. (2012) Biomol. NMR Assign. 6, 225. Solid-state NMR [13C,15N] resonance assignments of the nucleotide-binding domain of a bacterial cyclic nucleotide-gated channel
  
• 11. Weingarth, M. Trebosc, J., Amoureux, J.P., Bodenhausen, G., Tekely, P. (2011) Solid State Nucl. Magn. Reson. 40, 21. Efficiency at high spinning frequencies of heteronuclear decoupling methods designed to quench rotary resonance
  
• 10. Weingarth, M. Masuda, Y., Takegoshi, Bodenhausen, G., Tekely, P. (2011) J. Biol. NMR 50, 129.  Sensitive (13)C- 13)C correlation spectra of amyloid fibrils at very high spinning frequencies and magnetic fields
  
• 9. Weingarth, M. Bodenhausen, G. and Tekely, P. (2010) Chem. Phys. Lett. 502, 259. Probing the quenching of rotary resonance by PISSARRO decoupling
  
• 8. Weingarth, M. Bodenhausen, G., Tekely, P. (2010) Chem. Phys. Lett. 488, 10. Selected as Editor’s choice article. Broadband magnetization transfer using moderate radio-frequency fields for NMR with very high static fields and spinning speeds
  
• 7. Weingarth, M. Tekely, P., Brüschweiler, R., Bodenhausen, G. (2010) Chem. Comm. 46, 952. Selected for Highlights in Chemical Biology Improving the quality of 2D solid-state NMR spectra of microcrystalline proteins by covariance analysis
  
• 6. Weingarth, M. Bodenhausen, G., Tekely, P. (2009) J. Am. Chem. Soc. 131, 13937. Broadband carbon-13 correlation spectra of microcrystalline proteins in very high magnetic fields
  
• 5. Weingarth, M. Bodenhausen, G., Tekely, P. (2009) J. Magn. Reson. 199, 238. Low-power decoupling at high spinning frequencies in high static fields
  
• 4. Weingarth, M. Demco, D., Bodenhausen, G., Tekely, P. (2009) Chem. Phys. Lett. 469, 342. Improved magnetization transfer in solid-state NMR with fast magic angle spinning
  
• 3. Rettig, M.*, Weingarth, M.*, Langel, W., Kamal, A., Kumar, P.P., Weisz, K. (2009) Biochemistry 48, 12223. *co-first authors Solution structure of a covalently bound pyrrolo[2,1-c][1,4]benzodiazepine-benzimidazole hybrid to a 10mer DNA duplex
  
• 2. Weingarth, M. Tekely, P., Bodenhausen, G. (2008) Chem. Phys. Lett. 466, 247. Efficient heteronuclear decoupling by quenching rotary resonance in solid-state NMR
  
• 1. Weingarth, M. Raouafi, N., Jouvelet, B.,Duma, L.,Bodenhausen, G.,Boujlel, K., Schöllhorn, B., Tekely, P. (2008) Chem. Comm. 45, 5981. Revealing molecular self-assembly and geometry of non-covalent halogen bonding by solid-state NMR spectroscopy